N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide

C14H21FN2O2S — CID 28708327

IUPACN-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c15-12-6-8-14(9-7-12)20(18,19)17(11-10-16)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2
InChIKeyIQNGKRZXDUKFQH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.11
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide

N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide (PubChem CID 28708327) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
PubChem CID28708327
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c15-12-6-8-14(9-7-12)20(18,19)17(11-10-16)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2
InChIKeyIQNGKRZXDUKFQH-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301485
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
N-cycloheptyl-4-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788666

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide (CID 28708327) is N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide is NCCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide?
The InChIKey is IQNGKRZXDUKFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c15-12-6-8-14(9-7-12)20(18,19)17(11-10-16)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide?
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28708327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).